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[HTML][HTML] Recent advances, opportunities, and challenges in high-throughput computational screening of MOFs for gas separations
In the last two decades, metal organic frameworks (MOFs) have gained significant attention
as adsorbent and membrane materials for gas separations. Due to the large number and …
as adsorbent and membrane materials for gas separations. Due to the large number and …
Development of computational methodologies for metal–organic frameworks and their application in gas separations
Under the impetus of some breakthrough studies, 1− 6 associated research on metal−
organic frameworks (MOFs) has rapidly developed into one of the highly unique areas in …
organic frameworks (MOFs) has rapidly developed into one of the highly unique areas in …
Current progress in remediation of chlorinated volatile organic compounds: A review
C Dai, Y Zhou, H Peng, S Huang, P Qin, J Zhang… - Journal of Industrial and …, 2018 - Elsevier
Chlorinated volatile organic compounds (Cl-VOCs) contamination has been recognized as
one of the major problem in worldwide due to natural and anthropogenic activities. Recently …
one of the major problem in worldwide due to natural and anthropogenic activities. Recently …
Understanding gas-induced structural deformation of ZIF-8
ZIF-8 is a zeolitic imidazolate framework with very good thermal and chemical stability that
opens up many applications that are not feasible by other metal–organic frameowrks (MOFs) …
opens up many applications that are not feasible by other metal–organic frameowrks (MOFs) …
A highly sensitive and fully flexible Fe-Co metal-organic framework hydrogel based gas sensor for ppb level detection of acetone
Most nanomaterials based gas sensors are established on rigid substrates which require
operation at elevated temperature and involve long recovery times, thus, limiting their …
operation at elevated temperature and involve long recovery times, thus, limiting their …
Defect-induced tuning of polarity-dependent adsorption in hydrophobic–hydrophilic UiO-66
Structural defects in metal–organic frameworks can be exploited to tune material properties.
In the case of UiO-66 material, they may change its nature from hydrophobic to hydrophilic …
In the case of UiO-66 material, they may change its nature from hydrophobic to hydrophilic …
Design, parameterization, and implementation of atomic force fields for adsorption in nanoporous materials
Molecular simulations are an excellent tool to study adsorption and diffusion in nanoporous
materials. Examples of nanoporous materials are zeolites, carbon nanotubes, clays, metal …
materials. Examples of nanoporous materials are zeolites, carbon nanotubes, clays, metal …
Computer-Aided Design of Covalent Organic Frameworks for SF6 Capture: The Combination of High-Throughput Screening and Machine Learning
J Ning, K Shen, R Zhao, K Gao, J Cai… - The Journal of Physical …, 2024 - ACS Publications
Efficiently separating sulfur hexafluoride/nitrogen (SF6/N2) poses an urgent challenge. Four
covalent organic frameworks (COFs)(Re%> 80%) with greater performance in SF6/N2 …
covalent organic frameworks (COFs)(Re%> 80%) with greater performance in SF6/N2 …
Significant improvement of surface area and CO 2 adsorption of Cu–BTC via solvent exchange activation
The surface area, pore volume and adsorption characteristics of metal–organic frameworks
(MOFs) are significantly affected by preparation and activation procedures. In this work, we …
(MOFs) are significantly affected by preparation and activation procedures. In this work, we …
A highly efficient composite of Cu-BTC and g-C3N4 with bismuth doped for the adsorption of radioactive iodine
MM Khan, KW Chen, YT Chen, HY Liu, M **a… - Separation and …, 2025 - Elsevier
Capturing radioactive iodine effectively is a top priority, but it remains a major challenge. In
this manuscript, we report the synthesis of a bismuth-doped Cu-BTC [Cu 3 (BTC) 2, BTC= 1 …
this manuscript, we report the synthesis of a bismuth-doped Cu-BTC [Cu 3 (BTC) 2, BTC= 1 …